1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol

C16H16F2O — CID 105096422

IUPAC1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CCC(O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H16F2O/c1-11-3-2-4-12(9-11)5-8-16(19)13-6-7-14(17)15(18)10-13/h2-4,6-7,9-10,16,19H,5,8H2,1H3
InChIKeyDRCBQCVRZICNHK-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.94
Rot. Bonds4

About 1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol

1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol (PubChem CID 105096422) has the molecular formula C16H16F2O and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol
PubChem CID105096422
Molecular FormulaC16H16F2O
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CCC(O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H16F2O/c1-11-3-2-4-12(9-11)5-8-16(19)13-6-7-14(17)15(18)10-13/h2-4,6-7,9-10,16,19H,5,8H2,1H3
InChIKeyDRCBQCVRZICNHK-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 105092775
1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 107130176
N-[(3,4-difluorophenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 63455010
(3,4-difluorophenyl)-(3-methylphenyl)methanol
CID 2758296
1-(4-fluoro-2-methylphenyl)-3-(3-methylphenyl)propan-1-ol
CID 105093937
1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol
CID 60902372
3-(3-methylphenyl)-1-(4-propoxyphenyl)propan-1-ol
CID 105095182
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-methylphenyl)propan-1-ol
CID 105125289
1-(2-chloro-5-fluorophenyl)-3-(3-methylphenyl)propan-1-ol
CID 105397604
1-[3-fluoro-4-[(3-methylphenyl)methylsulfanyl]phenyl]ethanol
CID 63836206
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-1-ol
CID 105121012

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol (CID 105096422) is 1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol is Cc1cccc(CCC(O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol?
The InChIKey is DRCBQCVRZICNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O/c1-11-3-2-4-12(9-11)5-8-16(19)13-6-7-14(17)15(18)10-13/h2-4,6-7,9-10,16,19H,5,8H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol?
1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol has a molecular weight of 262.30 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 105096422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).